4-chloro-2-(oxolan-2-ylmethyl)-6-phenylpyrimidine

C15H15ClN2O — CID 43557461

IUPAC4-chloro-2-(oxolan-2-ylmethyl)-6-phenylpyrimidine
SMILESClc1cc(-c2ccccc2)nc(CC2CCCO2)n1
InChIInChI=1S/C15H15ClN2O/c16-14-10-13(11-5-2-1-3-6-11)17-15(18-14)9-12-7-4-8-19-12/h1-3,5-6,10,12H,4,7-9H2
InChIKeyQKWNZWZMDDPAMG-UHFFFAOYSA-N
MW274.75 g/mol
LogP3.52
Rot. Bonds3

About 4-chloro-2-(oxolan-2-ylmethyl)-6-phenylpyrimidine

4-chloro-2-(oxolan-2-ylmethyl)-6-phenylpyrimidine (PubChem CID 43557461) has the molecular formula C15H15ClN2O and a molecular weight of 274.75 g/mol. Its IUPAC name is 4-chloro-2-(oxolan-2-ylmethyl)-6-phenylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-(oxolan-2-ylmethyl)-6-phenylpyrimidine
PubChem CID43557461
Molecular FormulaC15H15ClN2O
Molecular Weight274.75 g/mol
Exact Mass274.09
IUPAC Name4-chloro-2-(oxolan-2-ylmethyl)-6-phenylpyrimidine
SMILESClc1cc(-c2ccccc2)nc(CC2CCCO2)n1
InChIInChI=1S/C15H15ClN2O/c16-14-10-13(11-5-2-1-3-6-11)17-15(18-14)9-12-7-4-8-19-12/h1-3,5-6,10,12H,4,7-9H2
InChIKeyQKWNZWZMDDPAMG-UHFFFAOYSA-N
XLogP3.52
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-chloro-2-(oxolan-2-ylmethyl)-6-phenylpyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(oxolan-2-ylmethyl)-6-phenylpyrimidine?
The IUPAC name of 4-chloro-2-(oxolan-2-ylmethyl)-6-phenylpyrimidine (CID 43557461) is 4-chloro-2-(oxolan-2-ylmethyl)-6-phenylpyrimidine.
What is the SMILES notation for 4-chloro-2-(oxolan-2-ylmethyl)-6-phenylpyrimidine?
The canonical SMILES for 4-chloro-2-(oxolan-2-ylmethyl)-6-phenylpyrimidine is Clc1cc(-c2ccccc2)nc(CC2CCCO2)n1.
What is the InChIKey of 4-chloro-2-(oxolan-2-ylmethyl)-6-phenylpyrimidine?
The InChIKey is QKWNZWZMDDPAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O/c16-14-10-13(11-5-2-1-3-6-11)17-15(18-14)9-12-7-4-8-19-12/h1-3,5-6,10,12H,4,7-9H2.
What are the key properties of 4-chloro-2-(oxolan-2-ylmethyl)-6-phenylpyrimidine?
4-chloro-2-(oxolan-2-ylmethyl)-6-phenylpyrimidine has a molecular weight of 274.75 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(oxolan-2-ylmethyl)-6-phenylpyrimidine is sourced from PubChem (CID 43557461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).